1F34
CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-13 |
| Detector | MAC Science DIP-2030B |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.374, 97.593, 136.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.660 - 2.450 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.29000 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.480 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.081 | 0.327 |
| Total number of observations | 116274 * | |
| Number of reflections | 16263 | 832 * |
| <I/σ(I)> | 24.6 | |
| Completeness [%] | 99.3 | 98.9 * |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | PEG 4000, sodium phosphate, 2-methyl-2,4-pentanediol, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | porcine pepsin | 12 (mg/ml) | |
| 2 | 1 | drop | PI-3 | 5.8 (mg/ml) | |
| 3 | 1 | drop | PEG4000 | 6 (%(w/v)) | |
| 4 | 1 | drop | sodium phosphate | 25 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
| 6 | 1 | reservoir | sodium phosphate | 50 (mM) | |
| 7 | 1 | reservoir | MPD | 15 (%(v/v)) |
